Molecule

ID:52334

General Information

Structure

MolImage

Molecular Formula

C₈H₆ClN

Molecular Mass

151.59294

Exact Mass

151.01887688

Charge

0

InChI

InChI=1S/C8H6ClN/c1-6-3-2-4-7(5-10)8(6)9/h2-4H,1H3

InChIKey

RBHUDDGPJRWBTF-UHFFFAOYSA-N

Canonic Smiles

N#Cc1cccc(c1Cl)C

Isomeric Smiles

C(#N)c1c(c(ccc1)C)Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.946808

LogD (pH = 7.4)

2.946808

Log P

2.946808

Molar Refractivity

41.6256

Polarizability

15.803106

Polar Surface Area

23.79

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

Bioactivity